SCHEMBL4328249

SCHEMBL4328249

S=C(NCC1CCCO1)NN=Cc1ccc(-c2ccccc2)o1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
HPGD P15428 4/20 0.64
LMNA P02545 3/20 0.64
ALOX12 P18054 2/20 0.64
GAA P10253 5/20 0.64
KDM4E B2RXH2 6/20 0.55
KMT2A Q03164 5/20 0.55
MEN1 O00255 4/20 0.55
MAPT P10636 4/20 0.55
PHGDH O43175 4/20 0.53
POLB P06746 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.51
RAB9A P51151 2/20 0.51
TDP1 Q9NUW8 2/20 0.50
MAPK1 P28482 2/20 0.50
GLA P06280 1/20 0.50
HTT P42858 1/20 0.49
NPC1 O15118 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4328243 1.00 ALDH1A1 (0.64) ALDH1A1HPGDLMNAALOX12GAA
SCHEMBL4332803 0.90 GAA (0.61) ALDH1A1HPGDLMNAALOX12GAA
SCHEMBL4332809 0.90 GAA (0.61) ALDH1A1HPGDLMNAALOX12GAA
SCHEMBL4329474 0.88 GAA (0.57) ALDH1A1HPGDLMNAALOX12GAA
SCHEMBL4329484 0.88 GAA (0.57) ALDH1A1HPGDLMNAALOX12GAA
SCHEMBL4455900 0.85 KMT2A (0.59) ALDH1A1HPGDLMNAGAAKDM4E
SCHEMBL4455893 0.85 KMT2A (0.59) ALDH1A1HPGDLMNAGAAKDM4E
SCHEMBL21292759 0.79 ALDH1A1 (1.00) ALDH1A1HPGDLMNAALOX12KDM4E
SCHEMBL13611637 0.75 MAPT (0.75) ALDH1A1HPGDLMNAALOX12KDM4E
SCHEMBL4459314 0.75 MAPT (0.75) ALDH1A1HPGDLMNAALOX12KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090285849-A1 Thiosemicarbazones as anti-virals and immunopotentiators NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2009-11-19 US disclosed
US-7521062-B2 Thiosemicarbazones as anti-virals and immunopotentiators NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2009-04-21 US disclosed
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2005-03-31 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090285849-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 ALDH1A1 1459/4885HPGD 1646/4885LMNA 4884/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 ALDH1A1 1173/4885HPGD 1495/4885LMNA 4885/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.